Information card for entry 7243948

Structure parameters

• Chemical name: (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• Formula: C6 H12 O6
• Calculated formula: C6 H12 O6
• Title of publication: Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED
• Authors of publication: Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 48
• Pages of publication: 8622 - 8630
• a: 5.177 ± 0.002 Å
• b: 10.691 ± 0.005 Å
• c: 15.272 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 845.3 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.1194
• Weighted residual factors for significantly intense reflections: 0.3194
• Weighted residual factors for all reflections included in the refinement: 0.3469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: 200keVelectrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No